3-cyano-2,6-dimethyl-quinoline-4-carboxylic acid

Systemtic Name: 3-cyano-2,6-dimethyl-quinoline-4-carboxylic acid Openeye Name: 3-cyano-2,6-dimethyl-quinoline-4-carboxylic acid CAS Name: 3-cyano-2,6-dimethyl-4-quinolinecarboxylic acid IUPAC Name: 3-cyano-2,6-dimethylquinoline-4-carboxylic acid Traditional Name: 3-cyano-2,6-dimethyl-cinchoninic acid Formula: C13H10N2O2 MolecularWeight: 226.2307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=C2C(=O)O)C#N)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=C2C(=O)O)C#N)C

InChI

InChI=1S/C13H10N2O2/c1-7-3-4-11-9(5-7)12(13(16)17)10(6-14)8(2)15-11/h3-5H,1-2H3,(H,16,17)